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SCHEMBL21132950

SCHEMBL21132950

CC(C)(C)C(=O)OCSP(=O)(OC[C@H]1OC(n2cnc3c(=O)[nH]cnc32)CC1F)O[C@H]1CC(n2cnc3c(N)ncnc32)O[C@@H]1COP(O)O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 8/20 0.41
▸ POLB P06746 1/20 0.40
▸ ENPP1 P22413 2/20 0.40
▸ P2RY1 P47900 1/20 0.40
▸ DTYMK P23919 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21540011 0.85 ALDH1A1 (0.42) STING1POLBENPP1P2RY1DTYMK
SCHEMBL21133224 0.84 TYMP (0.45) STING1POLB
SCHEMBL21132966 0.82 POLB (0.40) STING1POLBENPP1P2RY1
SCHEMBL21133329 0.81 TYMP (0.46) STING1POLBP2RY1
SCHEMBL21133334 0.79 POLB (0.49) STING1POLBENPP1P2RY1
SCHEMBL21133327 0.79 POLB (0.49) STING1POLBENPP1P2RY1
SCHEMBL21132939 0.79 POLB (0.49) STING1POLBENPP1P2RY1
SCHEMBL21132764 0.78 STING1 (0.43) STING1P2RY1
SCHEMBL21539895 0.78 TERT (0.44) STING1POLBENPP1P2RY1DTYMK
SCHEMBL21132767 0.72 P2RX3 (0.56) POLBP2RY1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3505527-A1 CYCLIC DINUCLEOTIDES FOR CYTOKINE INDUCTION Invivogen (FR) 2019-07-03 — — EP disclosed
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